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<td ALIGN=LEFT VALIGN=TOP WIDTH=280><br><h2>eneconv</h2><font size=-1><A HREF="../online.html">Main Table of Contents</A></font><br><br></td>
</TABLE></TD><TD WIDTH="*" ALIGN=RIGHT VALIGN=BOTTOM><p><B>VERSION 4.5<br>
Thu 26 Aug 2010</B></td></tr></TABLE>
<HR>
<H3>Description</H3>
<p>
With <it>multiple files</it> specified for the <tt>-f</tt> option:<br>
Concatenates several energy files in sorted order.
In case of double time frames the one
in the later file is used. By specifying <tt>-settime</tt> you will be
asked for the start time of each file. The input files are taken
from the command line,
such that the command <tt>eneconv -o fixed.<a href="edr.html">edr</a> *.<a href="edr.html">edr</a></tt> should do
the trick. <p>
With <it>one file</it> specified for <tt>-f</tt>:<br>
Reads one energy file and writes another, applying the <tt>-dt</tt>,
<tt>-offset</tt>, <tt>-t0</tt> and <tt>-settime</tt> options and
converting to a different format if necessary (indicated by file
extentions).<p>
<tt>-settime</tt> is applied first, then <tt>-dt</tt>/<tt>-offset</tt>
followed by <tt>-b</tt> and <tt>-e</tt> to select which frames to write.
<P>
<H3>Files</H3>
<TABLE BORDER=1 CELLSPACING=0 CELLPADDING=2>
<TR><TH>option</TH><TH>filename</TH><TH>type</TH><TH>description</TH></TR>
<TR><TD ALIGN=RIGHT> <b><tt>-f</tt></b> </TD><TD ALIGN=RIGHT> <tt><a href="edr.html">    ener.edr</a></tt> </TD><TD> Input, Mult. </TD><TD> Energy file </TD></TR>
<TR><TD ALIGN=RIGHT> <b><tt>-o</tt></b> </TD><TD ALIGN=RIGHT> <tt><a href="edr.html">   fixed.edr</a></tt> </TD><TD> Output </TD><TD> Energy file </TD></TR>
</TABLE>
<P>
<H3>Other options</H3>
<TABLE BORDER=1 CELLSPACING=0 CELLPADDING=2>
<TR><TH>option</TH><TH>type</TH><TH>default</TH><TH>description</TH></TR>
<TR><TD ALIGN=RIGHT> <b><tt>-[no]h</tt></b> </TD><TD ALIGN=RIGHT> gmx_bool </TD><TD ALIGN=RIGHT> <tt>no    </tt> </TD><TD> Print help info and quit </TD></TD>
<TR><TD ALIGN=RIGHT> <b><tt>-[no]version</tt></b> </TD><TD ALIGN=RIGHT> gmx_bool </TD><TD ALIGN=RIGHT> <tt>no    </tt> </TD><TD> Print version info and quit </TD></TD>
<TR><TD ALIGN=RIGHT> <b><tt>-nice</tt></b> </TD><TD ALIGN=RIGHT> int </TD><TD ALIGN=RIGHT> <tt>19</tt> </TD><TD> Set the nicelevel </TD></TD>
<TR><TD ALIGN=RIGHT> <b><tt>-b</tt></b> </TD><TD ALIGN=RIGHT> real </TD><TD ALIGN=RIGHT> <tt>-1    </tt> </TD><TD> First time to use </TD></TD>
<TR><TD ALIGN=RIGHT> <b><tt>-e</tt></b> </TD><TD ALIGN=RIGHT> real </TD><TD ALIGN=RIGHT> <tt>-1    </tt> </TD><TD> Last time to use </TD></TD>
<TR><TD ALIGN=RIGHT> <b><tt>-dt</tt></b> </TD><TD ALIGN=RIGHT> real </TD><TD ALIGN=RIGHT> <tt>0     </tt> </TD><TD> Only write out frame when t MOD dt = offset </TD></TD>
<TR><TD ALIGN=RIGHT> <b><tt>-offset</tt></b> </TD><TD ALIGN=RIGHT> real </TD><TD ALIGN=RIGHT> <tt>0     </tt> </TD><TD> Time offset for -dt option </TD></TD>
<TR><TD ALIGN=RIGHT> <b><tt>-[no]settime</tt></b> </TD><TD ALIGN=RIGHT> gmx_bool </TD><TD ALIGN=RIGHT> <tt>no    </tt> </TD><TD> Change starting time interactively </TD></TD>
<TR><TD ALIGN=RIGHT> <b><tt>-[no]sort</tt></b> </TD><TD ALIGN=RIGHT> gmx_bool </TD><TD ALIGN=RIGHT> <tt>yes   </tt> </TD><TD> Sort energy files (not frames) </TD></TD>
<TR><TD ALIGN=RIGHT> <b><tt>-scalefac</tt></b> </TD><TD ALIGN=RIGHT> real </TD><TD ALIGN=RIGHT> <tt>1     </tt> </TD><TD> Multiply energy component by this factor </TD></TD>
<TR><TD ALIGN=RIGHT> <b><tt>-[no]error</tt></b> </TD><TD ALIGN=RIGHT> gmx_bool </TD><TD ALIGN=RIGHT> <tt>yes   </tt> </TD><TD> Stop on errors in the file </TD></TD>
</TABLE>
<P>
<H3>Known problems</H3>
<UL>
<LI>When combining trajectories the sigma and E^2 (necessary for statistics) are not updated correctly. Only the actual energy is correct. One thus has to compute statistics in another way.
</UL>
<P>
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